(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

C12H22N2O — CID 146394692

IUPAC(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCCC(C)N1CCN2C(=O)CCC[C@@H]2C1
InChIInChI=1S/C12H22N2O/c1-3-10(2)13-7-8-14-11(9-13)5-4-6-12(14)15/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyNFHCPXASPLKOOQ-RRKGBCIJSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds2

About (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 146394692) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID146394692
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCCC(C)N1CCN2C(=O)CCC[C@@H]2C1
InChIInChI=1S/C12H22N2O/c1-3-10(2)13-7-8-14-11(9-13)5-4-6-12(14)15/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyNFHCPXASPLKOOQ-RRKGBCIJSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 146394692) is (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is CCC(C)N1CCN2C(=O)CCC[C@@H]2C1.
What is the InChIKey of (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is NFHCPXASPLKOOQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-10(2)13-7-8-14-11(9-13)5-4-6-12(14)15/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 210.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 146394692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).